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At least 289 records · Page 16

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NASA NTRS2013

Global and Regional Temperature-change Potentials for Near-term Climate Forcers

The emissions of reactive gases and aerosols can affect climate through the burdens of ozone, methane and aerosols, having both cooling and warming effects. These species are generally referred to near-term climate forcers (NTCFs) or short-lived climate pollutants (SLCPs), because of their short atmospheric residence time. The mitigation of these would be attractive for both air quality and climate on a 30-year timescale, provided it is not at the expense of CO2 mitigation. In this study we examine the climate effects of the emissions of NTCFs from 4 continental regions (East Asia, Europe, North America and South Asia) using results from the Task Force on Hemispheric Transport of Air Pollution Source-Receptor global chemical transport model simulations. We address 3 aerosol species (sulphate, particulate organic matter and black carbon - BC) and 4 ozone precursors (methane, reactive nitrogen oxides - NOx, volatile organic compounds VOC, and carbon monoxide - CO). For the aerosols the global warming potentials (GWPs) and global temperature change potentials (GTPs) are simply time-dependent scaling of the equilibrium radiative forcing, with the GTPs decreasing more rapidly with time than the GWPs. While the aerosol climate metrics have only a modest dependence on emission region, emissions of NOx and VOCs from South Asia have GWPs and GTPs of higher magnitude than from the other northern hemisphere regions. On regional basis, the northern mid-latitude temperature response to northern mid-latitude emissions is approximately twice as large as the global average response for aerosol emission, and about 20-30% larger than the global average for methane, VOC and CO emissions. We also found that temperatures in the Arctic latitudes appear to be particularly sensitive to black carbon emissions from South Asia.

climate forcer↗

NASA NTRS1996

Development of Finite Elements for Two-Dimensional Structural Analysis Using the Integrated Force Method

The Integrated Force Method has been developed in recent years for the analysis of structural mechanics problems. This method treats all independent internal forces as unknown variables that can be calculated by simultaneously imposing equations of equilibrium and compatibility conditions. In this paper a finite element library for analyzing two-dimensional problems by the Integrated Force Method is presented. Triangular- and quadrilateral-shaped elements capable of modeling arbitrary domain configurations are presented. The element equilibrium and flexibility matrices are derived by discretizing the expressions for potential and complementary energies, respectively. The displacement and stress fields within the finite elements are independently approximated. The displacement field is interpolated as it is in the standard displacement method, and the stress field is approximated by using complete polynomials of the correct order. A procedure that uses the definitions of stress components in terms of an Airy stress function is developed to derive the stress interpolation polynomials. Such derived stress fields identically satisfy the equations of equilibrium. Moreover, the resulting element matrices are insensitive to the orientation of local coordinate systems. A method is devised to calculate the number of rigid body modes, and the present elements are shown to be free of spurious zero-energy modes. A number of example problems are solved by using the present library, and the results are compared with corresponding analytical solutions and with results from the standard displacement finite element method. The Integrated Force Method not only gives results that agree well with analytical and displacement method results but also outperforms the displacement method in stress calculations.

Kaljevic, Igor↗

NASA NTRS1989

Magnetosphere-thermosphere coupling - An experiment in interactive modeling

The present use of the Rice convection model to investigate the electrodynamic coupling of the thermosphere to the inner magnetosphere encompasses the effects of EUV-driven and convection-driven neutral winds under quasi-equilibrium conditions. Convection-driven winds are included self-consistently and interactively; a steady-state wind parameterization is written analytically in terms of the electrostatic potential, which is in turn included in a closed-loop calculation for the electric potential itself. The simulations conducted show that, as the neutral system approaches a quasi-equilibrium state, the neutral winds play a much more significant role.

Forbes, Jeffrey M.↗

DOE OSTI2021

Optimization Methodology of Pebble Bed HTGR Start-Up and Running-in Strategy

In recent years interest in advanced reactor technologies has increased significantly. However, the methods used for analysis of traditional nuclear reactors are insufficient to consider all the different and varied advanced reactor designs without further development. One promising advanced reactor design is the pebble bed reactor (PBR). PBRs possess unique operational and fuel cycle features that require the development of specific analysis methodologies to adequately design and analyze the systems. There is a need in PBR research for a capability to analyze and optimize the process of transitioning from the start-up reactor core to the equilibrium core (known as the “running-in” of the reactor). The start-up of a PBR and the transition to the equilibrium core is a complex, multi-physics challenge that has not yet been well researched and has many opportunities for design, analysis, and optimization of the process. In this research, a methodology is defined to consider the potential strategies in PBR start-up and run-in to the equilibrium core. Multiple candidate software are considered, and their pros and cons are discussed for the PBR-specific application in the methodology. A preliminary software selection for the physics engine is made, and initial verification of key modules is performed. Software to support optimization of the reactor run-in strategies through reduced order modeling (ROM) and machine learning are considered. Challenges for a full implementation of the methodology are discussed. Additional code selections and verification of models relevant to the application are needed before full demonstration of the methodology can be achieved and an optimal strategy determined.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1981

Computer simulation of surface and film processes

A molecular dynamics technique based upon Lennard-Jones type pair interactions is used to investigate time-dependent as well as equilibrium properties. The case study deals with systems containing Si and O atoms. In this case a more involved potential energy function (PEF) is employed and the system is simulated via a Monte-Carlo procedure. This furnishes the equilibrium properties of the system at its interfaces and surfaces as well as in the bulk.

Tiller, W. A.↗

DOE OSTI2022

Mean-field theory for the structure of strongly interacting active liquids

Active systems, which are driven out of equilibrium by local non-conservative forces, exhibit unique behaviors and structures with potential utility for the design of novel materials. An important and difficult challenge along the path toward this goal is to precisely predict how the structure of active systems is modified as their driving forces push them out of equilibrium. Here, we use tools from liquid-state theories to approach this challenge for a classic minimal active matter model. First, we construct a nonequilibrium mean-field framework that can predict the structure of systems of weakly interacting particles. Second, motivated by equilibrium solvation theories, we modify this theory to extend it with surprisingly high accuracy to systems of strongly interacting particles, distinguishing it from most existing similarly tractable approaches. Furthermore, our results provide insight into spatial organization in strongly interacting out-of-equilibrium systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRSDate not supplied

The Spacecraft Potential of Wind Over Time

In a space plasma, exposed to ionizing radiation, a conducting object like a spacecraft will generate a net charge as the relevant currents from the plasma and photoelectrons attempt to reach equilibrium over time. This net charging is measured (or inferred from particle measurements) as an electrostatic potential, called the spacecraft potential. The Wind spacecraft will be 30 years old on November 1, 2023 and as such, has one of the longest baselines of continuous spacecraft potential measurements of any space mission. We determine the spacecraft potential from observations of photoelectrons in the thermal particle data. We examine the variations over time finding oscillations that correlate with solar rotation. This preliminary study examines for other effects but is ultimately for the purpose of generating a properly calibrated velocity moment dataset for the entire Wind mission.

Lynn B. Wilson III↗

DOE OSTI2020

Simulation of divertor heat flux width on EAST by BOUT++ transport code

The BOUT++ edge plasma transport code is applied to study the effects of neutral recycling, drifts and heating scheme on edge plasma profiles and the divertor heat flux width of two discharges of the experimental advanced superconducting tokamak (EAST) steady-state H-mode plasmas heated by low hybrid wave (LHW) and neutral beam (NB), respectively. Neutral recycling seems to have played an important role in the plasma density profile. The edge plasma density drops dramatically for the case w/o neutral recycling, while it can be sustained for the case w/ neutral recycling. Drifts are found to have significant influences on edge plasma profiles. Both the amplitude and width of the divertor heat flux are found to have increased a lot due to drifts. The simulated heat flux width w/ drifts for the two discharges shows reasonable agreement with the experiments. However, the width from the simulation and experiment for the LHW heated discharge is much larger than that of the NB heated discharge. Comparison with Goldston's drift-based model and more detailed analysis on the heat flux contributions from drifts versus turbulence show that drifts are the dominant factor in edge plasma transport for both LHW and NB heated discharges, while turbulence may have played a more important role in determining the heat flux width in LHW heated discharges than that in NB heated discharges. This may account for the larger heat flux width in the LHW heated discharge. The magnetic topology and the equilibrium change by the LHW power may also be a potential reason for the larger heat flux width in the LHW heated discharges, which still needs more evidence and studies to support it. Finally, additional SOLPS simulation w/o drifts for the two discharges show reasonable agreement with the counterpart from the BOUT++ simulation, suggesting the two are both suitable codes for EAST edge plasma simulation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Radiative pulsed L-mode operation in ARC-class reactors

Abstract A new ARC-class, highly-radiative, pulsed, L-mode, burning plasma scenario is developed and evaluated as a candidate for future tokamak reactors. Pulsed inductive operation alleviates the stringent current drive requirements of steady-state reactors, and operation in L-mode affords ELM-free access to ∼ 90 % core radiation fractions, significantly reducing the divertor power handling requirements. In this configuration the fusion power density can be maximized despite L-mode confinement by utilizing high-field to increase plasma densities and current. This allows us to obtain high gain in robust scenarios in compact devices with P fus > 1000 MW despite low confinement. We demonstrate the feasibility of such scenarios here; first by showing that they avoid violating 0D tokamak limits, and then by performing self-consistent integrated simulations of flattop operation including neoclassical and turbulent transport, magnetic equilibrium, and radiofrequency current drive models. Finally we examine the potential effect of introducing negative triangularity with a 0D model. Our results show high-field radiative pulsed L-mode scenarios are a promising alternative to the typical steady state advanced tokamak scenarios which have dominated tokamak reactor development.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Application of Machine Learning and Data Augmentation Algorithms in the Discovery of Metal Hydrides for Hydrogen Storage

The development of efficient and sustainable hydrogen storage materials is a key challenge for realizing hydrogen as a clean and flexible energy carrier. Among various options, metal hydrides offer high volumetric storage density and operational safety, yet their application is limited by thermodynamic, kinetic, and compositional constraints. In this work, we investigate the potential of machine learning (ML) to predict key thermodynamic properties—equilibrium plateau pressure, enthalpy, and entropy of hydride formation—based solely on alloy composition using Magpie-generated descriptors. We significantly expand an existing experimental dataset from ~400 to 806 entries and assess the impact of dataset size and data augmentation, using the PADRE algorithm, on model performance. Models including Support Vector Machines and Gradient Boosted Random Forests were trained and optimized via grid search and cross-validation. Results show a marked improvement in predictive accuracy with increased dataset size, while data augmentation benefits are limited to smaller datasets and do not improve accuracy in underrepresented pressure regimes. Furthermore, clustering and cross-validation analyses highlight the limited generalizability of models across different material classes, though high accuracy is achieved when training and testing within a single hydride family (e.g., AB2). The study demonstrates the viability and limitations of ML for accelerating hydride discovery, emphasizing the importance of dataset diversity and representation for robust property prediction.

augmentation↗

NASA NTRS1980

Nonlinear transient analysis by energy minimization: A theoretical basis for the ACTION computer code

The formulation basis for establishing the static or dynamic equilibrium configurations of finite element models of structures which may behave in the nonlinear range are provided. With both geometric and time independent material nonlinearities included, the development is restricted to simple one and two dimensional finite elements which are regarded as being the basic elements for modeling full aircraft-like structures under crash conditions. Representations of a rigid link and an impenetrable contact plane are added to the deformation model so that any number of nodes of the finite element model may be connected by a rigid link or may contact the plane. Equilibrium configurations are derived as the stationary conditions of a potential function of the generalized nodal variables of the model. Minimization of the nonlinear potential function is achieved by using the best current variable metric update formula for use in unconstrained minimization. Powell's conjugate gradient algorithm, which offers very low storage requirements at some slight increase in the total number of calculations, is the other alternative algorithm to be used for extremely large scale problems.

Kamat, M. P.↗

NASA NTRS1980

On the formation of nonlinear internal waves from the gravitational collapse of mixed regions in two and three dimensions

The paper shows how trains of nonlinear, dispersive waves can be produced by allowing a region of mixed fluid, with a potential energy greater than its surroundings, to collapse towards its equilibrium state. The number of waves and their amplitude depend on the properties of the mixed region and of the ambient stratification. Three different geometrical configurations have been chosen and while each gives qualitatively the same results the form taken by the generated waves and the final equilibrium shape of the mixed region depend critically on these geometrical factors. The internal waves produced by this mechanism are related to waves produced in natural systems and it is shown that the observations support at least one possible explanation for those found in the oceans and planetary atmospheres.

Maxworthy, T.↗

NASA NTRS1985

Computational chemistry and aeroassisted orbital transfer vehicles

An analysis of the radiative heating phenomena encountered during a typical aeroassisted orbital transfer vehicle (AOTV) trajectory was made to determine the potential impact of computational chemistry on AOTV design technology. Both equilibrium and nonequilibrium radiation mechanisms were considered. This analysis showed that computational chemistry can be used to predict (1) radiative intensity factors and spectroscopic data; (2) the excitation rates of both atoms and molecules; (3) high-temperature reaction rate constants for metathesis and charge exchange reactions; (4) particle ionization and neutralization rates and cross sections; and (5) spectral line widths.

Cooper, D. M.↗

NASA NTRS1992

Measurements of the fundamental thermodynamic parameters of Li/BCX and Li/SOCl2 cells

Two experimental techniques - equilibrium or reversible cell discharge and measurement of open circuit potential as a function of temperature - are used to determine the thermodynamic data needed to estimate the heat generation characteristics of Li/BCX and Li/SOCl2 cells. The results obtained showed that the reversible cell potential, the temperature dependence of the reversible cell potential, and the thermoneutral potential of the BCX cell were 3.74 V, -0.857 +/- 0.198 mV/K, and 3.994 +/- 0.0603 V, respectively. The respective values obtained for the Li/SOCl2 cell were 3.67 V, -0.776 +/- 0.255 mV/K, and 3.893 +/- 0.0776 V. The difference between the thermoneutral potential of Li/BCX and Li/SCl2 cells is attributable to the difference in their electroactive components.

Kalu, E. E.↗

NASA NTRS1994

(H2)2 mole-fraction altitude profile in the atmosphere of Jupiter: A computational study

The mole fraction x(sub 2) of (H2)2 in equilibrium mixture with H2 under the atmospheric conditions of Jupiter is evaluated from the dimerization equilibrium constant calculated by quantum-chemical treatments and also from the Lennard-Jones potential. The treatments are of an ab initio type with the second and fourth order Moller-Plesset perturbation techniques and a basis set superposition error evaluation. The computed dimerization equilibrium constant is combined with observed height profiles of temperature and pressure. In six treatments considered it is found that the mole fraction decreases with increasing height. Various approximations suggest the dimeric mole fraction at the Jupiter 1 atm pressure level between 0.04 and 1.06%.

Slanina, Zdenek↗

NASA NTRS2013

AGATE: Adversarial Game Analysis for Tactical Evaluation

AGATE generates a set of ranked strategies that enables an autonomous vehicle to track/trail another vehicle that is trying to break the contact using evasive tactics. The software is efficient (can be run on a laptop), scales well with environmental complexity, and is suitable for use onboard an autonomous vehicle. The software will run in near-real-time (2 Hz) on most commercial laptops. Existing software is usually run offline in a planning mode, and is not used to control an unmanned vehicle actively. JPL has developed a system for AGATE that uses adversarial game theory (AGT) methods (in particular, leader-follower and pursuit-evasion) to enable an autonomous vehicle (AV) to maintain tracking/ trailing operations on a target that is employing evasive tactics. The AV trailing, tracking, and reacquisition operations are characterized by imperfect information, and are an example of a non-zero sum game (a positive payoff for the AV is not necessarily an equal loss for the target being tracked and, potentially, additional adversarial boats). Previously, JPL successfully applied the Nash equilibrium method for onboard control of an autonomous ground vehicle (AGV) travelling over hazardous terrain.

Huntsberger, Terrance L.↗

DOE OSTI2024

Current potential patches

A novel form of the current potential, a mathematical tool for the design of stellarators and stellarator coils, is developed. Specifically, these are current potentials with a finite-element basis, called current potential patches. Current potential patches leverage the relationship between distributions of magnetic dipoles and current potentials to explore limits of the access properties of stellarator coil sets. An example calculation is shown using the Helically Symmetric Experiment (HSX) equilibrium, demonstrating the method's use in coil design and understanding the limits of the access properties of coil sets. Current potential patches have additional desirable properties such as of promoting sparse current sheet solutions and identifying crucial locations of shaping current placement. A result is found for the HSX equilibrium that shaping currents covering only 22% of the winding surface are sufficient to produce the equilibrium to a good accuracy, provided a toroidal field is generated by an exterior coil set.

Elder, Todd↗

DOE OSTI2021

Effect of interfacial structures on phonon transport across atomically precise Si/Al heterojunctions

Phonons are important carriers of energy and information in many cryogenic devices used for quantum information science and in fundamental physics experiments such as dark matter detectors. In these systems phonon behavior can be dominated by interfaces, hence there is increasing demand for a more detailed understanding of interfacial phonon transport in relevant material systems. Previous studies have focused on understanding thermal transport over the entire phonon spectrum at and above room temperature. At ultra-low temperatures, however, knowledge is missing regarding athermal phonon behavior due to the challenge in modeling the extreme conditions in micro-scale, heterogeneous cryogenic systems, as well as extracting single-phonon information from a large ensemble. In this work, we delineate interfacial phonon transport using a combination of classical molecular dynamics (MD) and phonon wave packet simulations, to illustrate the consistency and differences between the ensemble- and single-phonon dynamics. We consider three single-crystal Si surface reconstructions --- (1×1), (v3×v3) and (7×7) --- and model both experimentally observed Si(1×1)/Al interfaces and hypothesized Si(v3×v3)/Al and Si(7×7)/Al interfaces. The overall interfacial thermal conductance calculated from non-equilibrium MD shows that for the Si(1×1)/Al system, the presence of Al twin grain boundaries can hinder phonon transport and reduce thermal conductance by 2--12% relative to single-crystal Al; whereas the Si (v3×v3) and (7×7) reconstructions can enhance it by 6--19%. Normal mode decomposition reveals that both the increase and decrease in conductance are related to inelastic phonon scattering. Single-phonon wave packet simulations show results consistent with NEMD, while further suggesting that phonon polarization conversion is significant even when elastic transmission dominates, and that the interfacial structures have anisotropic impacts on atomic vibrations along different lattice directions. Our findings suggest alternative perspectives in achieving selective phonon transport through controlling interfacial structures of materials with atomically-precise fabrication techniques, and that the phonon wave packet formalism is a potentially powerful method for developing a detailed understanding of non-equilibrium phenomena in the low-temperature limit.

Lu, Zexi↗